RefChem:1079126
TL;DR: RefChem:1079126 (CAS 72889-44-2) is a chemical compound with molecular formula C25H19ClN2O4 and molecular weight 446.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[7-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoate
Also Known As: 5-25-02-00310 (Beilstein Handbook Reference), Benzoic acid, 4-(7-chloro-2-(2-(4-methoxyphenyl)ethenyl)-4-oxo-3(4H)-quinazolinyl)-, methyl ester, methyl 4-[7-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoate, RefChem:1079126, BRN 0720992
| Molecular Formula | C25H19ClN2O4 |
|---|---|
| Molecular Weight | 446.10 g/mol |
| LogP | 5.0047 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.10333 |
| Heavy Atoms | 32 |
| Complexity | 1374.479 |
Chemical Identifiers
| CAS Number | 72889-44-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C/C2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4=CC=C(C=C4)C(=O)OC |
Product Overview
RefChem:1079126 (CAS 72889-44-2), with molecular formula C25H19ClN2O4 and molecular weight 446.10 g/mol. IUPAC: methyl 4-[7-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoate.
Chemical Property Profile of RefChem:1079126
Property Insights of RefChem:1079126
The XLogP value of 5.0047 indicates that RefChem:1079126 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1079126. Following Lipinski's Rule of Five, RefChem:1079126 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1079126?
The CAS number of RefChem:1079126 is 72889-44-2.
What is the molecular formula of RefChem:1079126?
The molecular formula of RefChem:1079126 is C25H19ClN2O4.
What is the molecular weight of RefChem:1079126?
The molecular weight of RefChem:1079126 is 446.10 g/mol.
Where can I buy RefChem:1079126?
You can request a quote for RefChem:1079126 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079126?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079126 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.